4-tert-butyl-N-[[4-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H27F2N5O2S MolecularWeight: 535.608086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C28H27F2N5O2S/c1-28(2,3)19-6-4-18(5-7-19)26(37)31-16-24-33-34-27(35(24)23-14-10-21(30)11-15-23)38-17-25(36)32-22-12-8-20(29)9-13-22/h4-15H,16-17H2,1-3H3,(H,31,37)(H,32,36)